UCSF

ZINC34672618

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 9.99 -49.97 2 4 1 46 338.475 6
Lo Low (pH 4.5-6) 2.72 10.35 -85.81 3 4 2 48 339.483 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )